Alternate identifier:
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Related identifier:
(Is Supplement To) doi:10.3390/molecules25215125 - DOI
Creator/Author:
Stark, Pauline https://orcid.org/0000-0003-4368-0125 [Leibniz Institute of Plant Biochemistry]

Porzel, Andrea https://orcid.org/0000-0002-8148-6895 [Leibniz Institute of Plant Biochemistry]

Zab, Caroline [Leibniz Institute of Plant Biochemistry]

Wessjohann, Ludger https://orcid.org/0000-0003-2060-8235 [Leibniz Institute of Plant Biochemistry]

Franke, Katrin https://orcid.org/0000-0003-3043-3571 [Leibniz Institute of Plant Biochemistry]

Rizzo, Paride https://orcid.org/0000-0003-3802-2005 [Leibniz Institute of Plant Genetics and Crop Plant Research]
Contributors:
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Title:
PSYCHE - a valuable experiment in plant NMR-metabolomics
Additional titles:
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Description:
(Abstract) 1H-NMR is a very reproducible spectroscopic method and, therefore, a powerful tool for metabolomic analysis of biological samples. However, due to the high complexity of natural samples, such as plant extracts, the evaluation of spectra is difficult because of signal overlap. The new NMR "Pure Shift" methods improve spectral resolution by suppressing homonuclear coupling and turning multiplets into singlets. The PSYCHE (Pure Shift Yielded by Chirp excitation) and the Zangger-Sterk pulse sequence were tested. The parameters of the more suitable PSYCHE experiment were optimized, and the extracts of 21 Hypericum species were measured. Different evaluation criteria were used to compare the suitability of the PSYCHE experiment with conventional 1H-NMR. The relationship between the integral of a signal and the related bin value established by linear regression demonstrates an equal representation of the integrals in binned PSYCHE spectra compared to conventional 1H-NMR. Using multivariate data analysis based on both techniques reveals comparable results. The obtained data demonstrate that Pure Shift spectra can support the evaluation of conventional 1H-NMR experiments.
Keywords:
Pure Shift NMR, PSYCHE, Hypericum, metabolomics
Related information:
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Language:
English
Publishers:
Leibniz-Institut für Pflanzenbiochemie
Production year:
Subject areas:
Chemistry
Biochemistry
Resource type:
(Dataset) NMR raw data
Data source:
(Instrument) Agilent VNMRS 600 NMR spectrometer
Software used:
Resource production
Software:
VNMRJ - 4.2A
Alternative software:
-
Software used:
Resource processing
Software:
MestreNova - 12.0.4-220023
Alternative software:
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Data processing:
-
Publication year:
Rights holders:
Leibniz Institute of Plant Biochemistry

Leibniz Institute of Plant Genetics and Crop Plant Research
Funding:
Investitionsbank Sachsen-Anhalt / EFRE - (PhytoAD)(ZS/2016/05/78617)
Investitionsbank Sachsen-Anhalt / EFRE - (HyperSpEED)(ZS/2019/07/99747)
Europäischer Fonds für Regionale Entwicklung (EFRE) - (PhytoAD)
Europäischer Fonds für Regionale Entwicklung (EFRE) - (HyperSpEED)
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Archiving date:
2020-12-09
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35.5 MB
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